1-(3-bromophenyl)pent-4-en-1-ol

C11H13BrO — CID 14665893

IUPAC1-(3-bromophenyl)pent-4-en-1-ol
SMILESC=CCCC(O)c1cccc(Br)c1
InChIInChI=1S/C11H13BrO/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h2,4-6,8,11,13H,1,3,7H2
InChIKeyHOOLKQJGXRLEDW-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.45
Rot. Bonds4

About 1-(3-bromophenyl)pent-4-en-1-ol

1-(3-bromophenyl)pent-4-en-1-ol (PubChem CID 14665893) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)pent-4-en-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)pent-4-en-1-ol
PubChem CID14665893
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-(3-bromophenyl)pent-4-en-1-ol
SMILESC=CCCC(O)c1cccc(Br)c1
InChIInChI=1S/C11H13BrO/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h2,4-6,8,11,13H,1,3,7H2
InChIKeyHOOLKQJGXRLEDW-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol
CID 59703119
3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 55098950
1-bromo-3-(1-fluoropent-4-enyl)benzene
CID 68649088
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
CID 115804584
2-(3-bromophenyl)-2-hydroxyacetic acid
CID 2757028
(1S)-1-(3-bromophenyl)but-3-en-1-amine
CID 50999165
(3S)-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 11673188
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
1-(3-bromophenyl)-3-methylidenepentan-1-ol
CID 66044340

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)pent-4-en-1-ol?
The IUPAC name of 1-(3-bromophenyl)pent-4-en-1-ol (CID 14665893) is 1-(3-bromophenyl)pent-4-en-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)pent-4-en-1-ol?
The canonical SMILES for 1-(3-bromophenyl)pent-4-en-1-ol is C=CCCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)pent-4-en-1-ol?
The InChIKey is HOOLKQJGXRLEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h2,4-6,8,11,13H,1,3,7H2.
What are the key properties of 1-(3-bromophenyl)pent-4-en-1-ol?
1-(3-bromophenyl)pent-4-en-1-ol has a molecular weight of 241.13 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)pent-4-en-1-ol is sourced from PubChem (CID 14665893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).